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Trends in Heterocyclic Chemistry   Volumes    Volume 8 
Abstract
Topological reference systems for heterocyclic conjugated compounds
Takayuki Ohmae
Pages: 169 - 186
Number of pages: 18
Trends in Heterocyclic Chemistry
Volume 8 

Copyright © 2002 Research Trends. All rights reserved

ABSTRACT

Generalization of the topological resonance energy theory is an attempt at using propagators under the Hueckel approximation. General methods to get propagators are presented for the topological reference systems under consideration. Where the topological reference systems are the hypothetical reference systems for which construction of all substructural details of the systems, except the cycles, should be taken into account, then the quantum chemical indexes of the topological reference systems are defined by analogy with those of the real systems. This method enables us to gain new insights into the influences of the heteroatom and the cyclic structure on the energy stabilization and chemical reactivity of heterocyclic conjugated systems.

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